accptHB	QikProp predicted hydrogen-bond acceptor count
ADMET	absorption, distribution, metabolism, excretion, toxicity
AI	artificial intelligence
AJCC	American Joint Committee on Cancer
APC	adenomatous polyposis coli
AUC	area under the ROC curve
AXIN2	axis-inhibition protein 2
BLISS	Balanced Latent Integration with Stability Selection (this work)
BRICS	Breaking of Retrosynthetically Interesting Chemical Substructures
bRo5	beyond rule of five
CCND1	cyclin D1 gene
CDK4/6	cyclin-dependent kinase 4 and 6
CMS	consensus molecular subtypes (of colorectal cancer)
CNV	copy-number variation
CpG	cytosine–phosphate–guanine dinucleotide
CRBN	cereblon (E3 ligase substrate receptor)
CSV	comma-separated values (file format)
DC50	drug concentration causing 50% degradation
Dmax	maximum percent degradation
DCAF1	DDB1 and CUL4-associated factor 1
DNA	deoxyribonucleic acid
donorHB	QikProp predicted hydrogen-bond donor count
ETKDGv3	Experimental-Torsion Knowledge Distance Geometry, version 3
FDR	false-discovery rate
GDP	guanosine-5′-diphosphate
GELU	Gaussian Error Linear Unit
Glide SP	Glide Standard Precision (Schrödinger docking mode)
GPU	graphics processing unit
hERG	human Ether-à-go-go-Related Gene (potassium channel)
HOA	human oral absorption (qualitative class)
%HOA	QikProp predicted percent human oral absorption
IC50	concentration causing 50% inhibition
IP(eV)	QikProp predicted ionisation potential (electronvolts)
KL	Kullback–Leibler (divergence)
KLHDC2	kelch domain-containing protein 2
LEF1	lymphoid-enhancer-binding factor 1
LigPrep	Schrödinger ligand preparation utility
MAPK	mitogen-activated protein kinase
MDCK	Madin–Darby canine kidney (cell line)
#metab	QikProp predicted number of likely metabolic reactions
miRNA	microRNA
MM-GBSA	molecular mechanics combined with the generalised-Born/surface-area implicit-solvent model
MMFF94s	Merck Molecular Force Field 94, static variant
MOFA	multi-omics factor analysis
mRNA	messenger ribonucleic acid
MSI(-H)	microsatellite instability (high)
MSigDB	Molecular Signatures Database
MSS	microsatellite stable
mTOR	mechanistic (mammalian) target of rapamycin
MW	molecular weight
MYC	MYC proto-oncogene
#NandO	QikProp count of nitrogen + oxygen atoms
OPLS_2005/OPLS4	Optimised Potentials for Liquid Simulations force fields
PDB	Protein Data Bank
PEG	polyethylene glycol
PI3K	phosphoinositide 3-kinase
pKa	negative base-10 logarithm of the acid dissociation constant
PROPKA	empirical pKa prediction program
PROTAC	proteolysis-targeting chimera
PROTAC-DB	PROTAC database (Liu et al. [55], NAR 2025)
PSA	polar surface area (Å2)
QPlogBB	QikProp predicted log(brain/blood partition coefficient)
QPlogHERG	QikProp predicted log(IC50) for hERG K+ channel blockade
QPlogKhsa	QikProp predicted log(human serum albumin binding constant)
QPlogKp	QikProp predicted skin permeability (log cm h−1)
QPlogPC16	QikProp predicted log(hexadecane/gas partition coefficient)
QPlogPo/w	QikProp predicted log(octanol/water partition coefficient)
QPlogPoct	QikProp predicted log(octanol/gas partition coefficient)
QPlogPw	QikProp predicted log(water/gas partition coefficient)
QPlogS	QikProp predicted log(aqueous solubility, mol L−1)
QPPCaco	QikProp predicted Caco-2 cell permeability (nm s−1)
QPPMDCK	QikProp predicted MDCK cell permeability (nm s−1)
QPpolrz	QikProp predicted molecular polarisability (Å3)
RDKit	open-source cheminformatics toolkit (rdkit.org)
#ringatoms	QikProp count of atoms in rings
RMSD	root-mean-square deviation
ROC	receiver-operating-characteristic
#rotor	QikProp count of rotatable bonds
RPPA	reverse-phase protein array
SASA	solvent-accessible surface area (Å2)
SDF	structure-data file (format)
SMARTS	SMILES Arbitrary Target Specification (substructure language)
SMILES	Simplified Molecular-Input Line-Entry System
SNF	similarity network fusion
#stars	QikProp structural alerts (descriptors outside the 95% range)
Super.FELT	supervised feature-extraction learning using triplet loss [26]
TCGA	The Cancer Genome Atlas
TROP2	trophoblast cell-surface antigen 2
USR	Ultrafast Shape Recognition
USRCAT	USR with Chemical Features (atom-type-augmented shape descriptor)
VCB	VHL / Elongin-C / Elongin-B (E3-ligase complex)
VHL	von Hippel–Lindau (E3 ligase substrate receptor)
VSGB	Variable-dielectric Surface Generalised-Born (Schrödinger implicit-solvent model)
XGBoost	extreme gradient boosting
ΔG_bind	Gibbs free energy of binding (kcal mol−1)